Geometry & MOs

Info

ID:	349261
PubChem CID:	127275048
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-1.95
Dipole, Da:	1.52
IP(EA), eV:	-9.03(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-methyl-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCC1CCCCN1C(=O)CN2CCC(CC2)C3=NC(=NN3)C4=CC=CC=C4

DOS

IR

Vibrations